4-[[(4-methoxycyclohexyl)amino]methyl]phenol

C14H21NO2 — CID 104530017

IUPAC4-[[(4-methoxycyclohexyl)amino]methyl]phenol
SMILESCOC1CCC(NCc2ccc(O)cc2)CC1
InChIInChI=1S/C14H21NO2/c1-17-14-8-4-12(5-9-14)15-10-11-2-6-13(16)7-3-11/h2-3,6-7,12,14-16H,4-5,8-10H2,1H3
InChIKeyAOEIXVXLMCUJRA-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.44
Rot. Bonds4

About 4-[[(4-methoxycyclohexyl)amino]methyl]phenol

4-[[(4-methoxycyclohexyl)amino]methyl]phenol (PubChem CID 104530017) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[[(4-methoxycyclohexyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(4-methoxycyclohexyl)amino]methyl]phenol
PubChem CID104530017
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-[[(4-methoxycyclohexyl)amino]methyl]phenol
SMILESCOC1CCC(NCc2ccc(O)cc2)CC1
InChIInChI=1S/C14H21NO2/c1-17-14-8-4-12(5-9-14)15-10-11-2-6-13(16)7-3-11/h2-3,6-7,12,14-16H,4-5,8-10H2,1H3
InChIKeyAOEIXVXLMCUJRA-UHFFFAOYSA-N
XLogP2.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[4-(hydroxymethyl)cyclohexyl]amino]methyl]phenol
CID 112753322
4-[(cyclopentylamino)methyl]phenol
CID 3873791
N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62420771
4-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 54962641
4-[[(4-propan-2-ylcycloheptyl)amino]methyl]phenol
CID 114331412
N-[(4-tert-butylphenyl)methyl]-3-methoxycyclopentan-1-amine
CID 103081446
4-[[(4-tert-butylcycloheptyl)amino]methyl]phenol
CID 114331493
methyl 4-[(cyclopropylamino)methyl]benzoate
CID 16784234
3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
CID 113429867
4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol
CID 103953607
N-[(4-ethylphenyl)methyl]-3-methoxycyclohexan-1-amine
CID 113286117
3-[[(4-methoxycyclohexyl)amino]methyl]benzonitrile
CID 113414372

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methoxycyclohexyl)amino]methyl]phenol?
The IUPAC name of 4-[[(4-methoxycyclohexyl)amino]methyl]phenol (CID 104530017) is 4-[[(4-methoxycyclohexyl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(4-methoxycyclohexyl)amino]methyl]phenol?
The canonical SMILES for 4-[[(4-methoxycyclohexyl)amino]methyl]phenol is COC1CCC(NCc2ccc(O)cc2)CC1.
What is the InChIKey of 4-[[(4-methoxycyclohexyl)amino]methyl]phenol?
The InChIKey is AOEIXVXLMCUJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-17-14-8-4-12(5-9-14)15-10-11-2-6-13(16)7-3-11/h2-3,6-7,12,14-16H,4-5,8-10H2,1H3.
What are the key properties of 4-[[(4-methoxycyclohexyl)amino]methyl]phenol?
4-[[(4-methoxycyclohexyl)amino]methyl]phenol has a molecular weight of 235.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methoxycyclohexyl)amino]methyl]phenol is sourced from PubChem (CID 104530017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).